1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione

C22H17F2N3O2 — CID 573043

IUPAC1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1n(-c2ccccc2)c(=O)n(Cc2ccccc2F)n1Cc1ccccc1F
InChIInChI=1S/C22H17F2N3O2/c23-19-12-6-4-8-16(19)14-25-21(28)27(18-10-2-1-3-11-18)22(29)26(25)15-17-9-5-7-13-20(17)24/h1-13H,14-15H2
InChIKeyNBYJKLLIDDDJJJ-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.18
Rot. Bonds5

About 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione

1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 573043) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID573043
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=c1n(-c2ccccc2)c(=O)n(Cc2ccccc2F)n1Cc1ccccc1F
InChIInChI=1S/C22H17F2N3O2/c23-19-12-6-4-8-16(19)14-25-21(28)27(18-10-2-1-3-11-18)22(29)26(25)15-17-9-5-7-13-20(17)24/h1-13H,14-15H2
InChIKeyNBYJKLLIDDDJJJ-UHFFFAOYSA-N
XLogP3.18
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione (CID 573043) is 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione is O=c1n(-c2ccccc2)c(=O)n(Cc2ccccc2F)n1Cc1ccccc1F.
What is the InChIKey of 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is NBYJKLLIDDDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c23-19-12-6-4-8-16(19)14-25-21(28)27(18-10-2-1-3-11-18)22(29)26(25)15-17-9-5-7-13-20(17)24/h1-13H,14-15H2.
What are the key properties of 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione?
1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 393.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(2-fluorophenyl)methyl]-4-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 573043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).